SCHEMBL4250883

SCHEMBL4250883

COC(=O)c1cccc(N2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.68
ALOX15 P16050 2/20 0.67
MAPT P10636 2/20 0.67
PKM P14618 1/20 0.67
MRGPRX4 Q96LA9 1/20 0.66
PLOD2 O00469 2/20 0.59
PLOD3 O60568 2/20 0.59
PLOD1 Q02809 2/20 0.59
PRKDC P78527 1/20 0.58
LMNA P02545 1/20 0.57
ALDH1A1 P00352 4/20 0.56
NPC1 O15118 2/20 0.53
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MGLL Q99685 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
HTR7 P34969 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 2/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4357869 0.99 KMO (0.67) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL5743752 0.86 ALDH1A1 (0.66) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL4203044 0.85 ALDH1A1 (0.64) ALOX15MAPTPKMMRGPRX4LMNA
SCHEMBL8698430 0.85 KMO (0.63) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL475555 0.84 MRGPRX4 (0.54) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL1490676 0.84 PLOD2 (0.60) PLOD2PLOD3PLOD1LMNAALDH1A1
SCHEMBL28692105 0.83 PLOD2 (0.67) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL30474594 0.83 PLOD2 (0.67) KMOALOX15MAPTPKMMRGPRX4
SCHEMBL13724478 0.83 KMO (0.74) KMOMAPTPLOD2PLOD3PLOD1
SCHEMBL1645102 0.83 MRGPRX4 (0.60) ALOX15MAPTPKMMRGPRX4PRKDC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106928162-B Synthesis method of substituted N-phenyl morpholine compound 韶远科技(上海)有限公司 2022-04-08 CN disclosed
WO-2021143924-A1 BORIC ACID DERIVATIVE 首药控股(北京)股份有限公司 2021-07-22 WO disclosed
EP-2744330-B1 SUBSTITUTED (E)-N'-(1-PHENYLETHYLIDENE) BENZOHYDRAZIDE ANALOGS AS HISTONE DEMETHYLASE INHIITORS UNIV UTAH RES FOUND (US) 2020-07-15 EP disclosed
EP-3010915-B1 SUBSTITUTED (3-(5-CHLORO-2-HYDROXYPHENYL)-1-BENZOYL-1H-PYRAZOLE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS UNIV UTAH RES FOUND (US) 2019-05-08 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9642857-B2 Substituted (E)-N′-(1-phenylethylidene)benzohydrazide analogs as histone demethylase inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-05-09 US disclosed
US-9555024-B2 Substituted (E)-N′-(1-phenylethylidene)benzohydrazide analogs as histone demethylase inhibitors UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-01-31 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-6888029-B2 Transition-metal-catalyzed carbon-nitrogen bond-forming methods using carbene ligands MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-05-03 US disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
US-20040044250-A1 Transition-metal-catalyzed carbon-nitrogen bond-forming methods using carbene ligands NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-04 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
EP-1354887-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Insitute of Technology (US) 2003-10-22 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 WO disclosed
EP-1097158-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-05-09 EP disclosed
WO-2000002887-A2 LIGANDS FOR METALS AND METAL-CATALYZED PROCESSES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-01-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ KMO 627/4885ALOX15 1115/4885MAPT 4858/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS KMO 1576/4885ALOX15 1526/4885MAPT 4807/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK KMO 883/4885ALOX15 1278/4885MAPT 4777/4885
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 KMO 1623/4885ALOX15 2354/4885MAPT 1726/4885
US-20040044250-A1 Transition-metal-catalyzed carbon-nitrogen bond-forming methods using carbene ligands PAM, DAO, NAA15 KMO 23/4885ALOX15 644/4885MAPT 1076/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.